Geometry & MOs

Info

ID:	169887
PubChem CID:	75162147
Reduced:	O2H18C21 (1)
Stoich.:	A2B18C21 (1)
Weight, g/mol:	742.486728
ΔH_f, kcal/mol:	-0.79
Dipole, Da:	2.32
IP(EA), eV:	-8.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrahydroxypentyl 2,4,6,8,10,12,14,16,18-nonamethyl-13-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyicosa-2,6,10,14-tetraenoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=CC2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations